(phenylmethyl) 4-(2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl)piperazine-1-carboxylate Openeye Name: benzyl 4-(2-cyclohexyl-3-oxo-isoindolin-5-yl)piperazine-1-carboxylate CAS Name: 4-(2-cyclohexyl-3-oxo-1H-isoindol-5-yl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-cyclohexyl-3-oxo-1H-isoindol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(2-cyclohexyl-3-keto-isoindolin-5-yl)piperazine-1-carboxylic acid benzyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H31N3O3/c30-25-24-17-23(12-11-21(24)18-29(25)22-9-5-2-6-10-22)27-13-15-28(16-14-27)26(31)32-19-20-7-3-1-4-8-20/h1,3-4,7-8,11-12,17,22H,2,5-6,9-10,13-16,18-19H2